5-Acetylsalicylaldehyde
TL;DR: 5-Acetylsalicylaldehyde (CAS 68840-08-4) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-hydroxybenzaldehyde
Also Known As: 5-Acetylsalicylaldehyde, 5-acetyl-2-hydroxybenzaldehyde, 5-acetyl salicylaldehyde, EINECS 272-438-2, Benzaldehyde, 5-acetyl-2-hydroxy-
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.4073 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 328.54556 |
Chemical Identifiers
| CAS Number | 68840-08-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C=O |
Product Overview
5-Acetylsalicylaldehyde (CAS 68840-08-4), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: 5-acetyl-2-hydroxybenzaldehyde.
Chemical Property Profile of 5-Acetylsalicylaldehyde
Property Insights of 5-Acetylsalicylaldehyde
The XLogP value of 1.4073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetylsalicylaldehyde. With a topological polar surface area (TPSA) of 54.37 Ų, 5-Acetylsalicylaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetylsalicylaldehyde has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Acetylsalicylaldehyde?
The CAS number of 5-Acetylsalicylaldehyde is 68840-08-4.
What is the molecular formula of 5-Acetylsalicylaldehyde?
The molecular formula of 5-Acetylsalicylaldehyde is C9H8O3.
What is the molecular weight of 5-Acetylsalicylaldehyde?
The molecular weight of 5-Acetylsalicylaldehyde is 164.05 g/mol.
Where can I buy 5-Acetylsalicylaldehyde?
You can request a quote for 5-Acetylsalicylaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetylsalicylaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetylsalicylaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.